N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C24H24N4O3S3 MolecularWeight: 512.66736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)C

InChI

InChI=1S/C24H24N4O3S3/c1-16-13-17(2)22-19(14-16)26-24(33-22)27(15-18-7-3-4-10-25-18)23(29)20-8-5-11-28(20)34(30,31)21-9-6-12-32-21/h3-4,6-7,9-10,12-14,20H,5,8,11,15H2,1-2H3